ChemSpider 2D Image | 3-Chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazepin-7-yl)phenol | C18H11Cl2N3O

3-Chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazepin-7-yl)phenol

  • Molecular FormulaC18H11Cl2N3O
  • Average mass356.205 Da
  • Monoisotopic mass355.027924 Da
  • ChemSpider ID23137239

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Chlor-4-(9-chlor-5H-pyrimido[5,4-d][2]benzazepin-7-yl)phenol [German] [ACD/IUPAC Name]
3-Chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazepin-7-yl)phenol [ACD/IUPAC Name]
3-Chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazépin-7-yl)phénol [French] [ACD/IUPAC Name]
Phenol, 3-chloro-4-(9-chloro-5H-pyrimido[5,4-d][2]benzazepin-7-yl)- [ACD/Index Name]
3-Chloro-4-(9-chloro-5H-benzo[c]pyrimido[4,5-e]azepin-7-yl)-phenol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 569.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.724
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.43
ACD/KOC (pH 5.5): 2279.25
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 232.20
ACD/KOC (pH 7.4): 1532.13
Polar Surface Area: 58 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement